Spektraris NMR
(+)-Hyatellaquinone
Common Name: (+)-Hyatellaquinone
Synonyms: (+)-Hyatellaquinone
CAS Registry Number:
InChI: InChI=1S/C22H30O4/c1-13-7-8-18-21(2,3)9-6-10-22(18,4)15(13)11-14-19(24)16(23)12-17(26-5)20(14)25/h12,15,18,24H,1,6-11H2,2-5H3/t15-,18-,22+/m1/s1
InChIKey: InChIKey=IKIJNYMLYFOECD-LDJQZATESA-N
Formula: C22H30O4
Molecular Weight: 358.472032
Exact Mass: 358.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bernet, A., Schroder, J., Seifert, K. Helv Chim Acta (2003) 86, 2009-20
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Drimanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 38.8 |
| 2 (CH2) | 19.4 |
| 3 (CH2) | 42.1 |
| 4 (C) | 33.6 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 24.5 |
| 7 (CH2) | 38.4 |
| 8 (C) | 148.8 |
| 9 (CH) | 54.2 |
| 10 (C) | 40.1 |
| 11 (CH2) | 18.8 |
| 12 (CH2) | 106.5 |
| 13 (CH3) | 33.6 |
| 14 (CH3) | 21.7 |
| 15 (CH3) | 14 |
| 1' (C) | 119.4 |
| 2' (C) | 182 |
| 3' (C) | 161.2 |
| 4' (CH) | 102.1 |
| 5' (C) | 182.5 |
| 6' (C) | 151.5 |
| 5'a (CH3) | 56.7 |
